Chlorine in PDB 2okg: Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis

The structure of Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis, PDB code: 2okg was solved by P.Rezacova, S.F.Moy, A.Joachimiak, Z.Otwinowski, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.04 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.603, 83.804, 116.721, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.9

The binding sites of Chlorine atom in the Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis (pdb code 2okg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis, PDB code: 2okg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:24.1 occ:1.00 N A:LEU203 3.3 13.3 1.0 CA A:ARG202 3.7 13.4 0.5 CA A:ARG202 3.8 13.0 0.5 CD A:ARG202 4.0 10.7 0.5 C A:ARG202 4.0 13.2 1.0 CG A:LEU203 4.1 13.8 1.0 CB A:LEU203 4.1 12.7 1.0 O A:TYR201 4.2 12.4 1.0 CD A:ARG202 4.2 18.0 0.5 CA A:LEU203 4.3 12.0 1.0 CB A:ARG202 4.5 14.3 0.5 CE2 A:TYR201 4.6 9.6 1.0 CB A:ARG202 4.6 13.6 0.5 CD2 A:TYR201 4.6 10.9 1.0 O A:LEU203 4.7 12.5 1.0 CG A:ARG202 4.7 15.8 0.5 N A:ARG202 4.7 12.9 1.0 CD1 A:LEU203 4.7 16.7 1.0 C A:TYR201 4.8 12.5 1.0 C A:LEU203 5.0 12.5 1.0 CG A:ARG202 5.0 12.9 0.5

Chlorine binding site 2 out of 3 in the Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:22.2 occ:1.00 O A:HOH608 3.1 21.0 1.0 N A:THR152 3.3 15.3 1.0 O A:HOH604 3.3 14.4 1.0 O A:HOH737 3.3 43.1 1.0 CA A:GLY150 3.4 15.9 1.0 C A:GLY150 3.5 16.6 1.0 O A:HOH685 3.5 32.2 1.0 CB A:THR152 3.5 15.0 1.0 N A:ILE153 3.6 14.1 1.0 N A:THR151 3.7 14.5 1.0 CA A:THR152 3.8 14.5 1.0 CA A:GLY240 3.9 12.5 1.0 O A:GLY150 3.9 16.2 1.0 OG1 A:THR152 3.9 15.3 1.0 CG1 A:ILE153 3.9 14.1 1.0 N A:GLY150 4.1 17.4 1.0 C A:THR152 4.2 14.2 1.0 C A:THR151 4.3 14.4 1.0 O A:HOH651 4.4 30.7 1.0 O A:HOH645 4.5 31.2 1.0 N A:GLY240 4.5 12.2 1.0 CA A:THR151 4.6 15.5 1.0 CD1 A:ILE153 4.6 14.3 1.0 CB A:ILE153 4.7 15.5 1.0 CA A:ILE153 4.8 15.0 1.0 CG2 A:THR152 4.8 14.7 1.0 O A:VAL304 4.8 15.4 1.0 NZ A:LYS310 4.8 16.7 1.0 C A:GLY240 4.9 13.1 1.0 O A:HOH800 4.9 38.6 1.0 N A:ILE241 5.0 12.1 1.0

Chlorine binding site 3 out of 3 in the Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Effector Binding Domain of Central Glycolytic Gene Regulator (Cggr) From B. Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:34.5 occ:1.00 O A:HOH780 2.9 41.2 1.0 OG A:SER120 3.1 17.2 1.0 NH1 B:ARG129 3.1 15.3 1.0 N A:ASP116 3.4 14.2 1.0 NH2 B:ARG129 3.4 15.9 1.0 CA A:GLY115 3.5 14.4 1.0 CB A:SER120 3.7 15.9 1.0 CZ B:ARG129 3.7 15.3 1.0 C A:GLY115 4.0 14.2 1.0 O A:ASP116 4.1 14.0 1.0 CA A:ASP116 4.4 14.0 1.0 CB A:ASP116 4.6 14.3 1.0 C A:ASP116 4.6 13.7 1.0 CG2 A:VAL123 4.6 13.1 1.0 N A:GLY115 4.8 14.9 1.0 CB A:GLN119 4.9 17.6 1.0 N A:SER120 4.9 16.7 1.0 O A:HOH779 4.9 37.2 1.0 CA A:SER120 4.9 16.0 1.0

P.Rezacova, M.Kozisek, S.F.Moy, I.Sieglova, A.Joachimiak, M.Machius, Z.Otwinowski. Crystal Structures of the Effector-Binding Domain of Repressor Central Glycolytic Gene Regulator From Bacillus Subtilis Reveal Ligand-Induced Structural Changes Upon Binding of Several Glycolytic Intermediates. Mol.Microbiol. V. 69 895 2008.
ISSN: ISSN 0950-382X
PubMed: 18554327
DOI: 10.1111/J.1365-2958.2008.06318.X